[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C17H22Cl2N2O2+2 — CID 7394284

IUPAC[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESClc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c18-13-1-3-15(16(19)11-13)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2
InChIKeyNWDNYYJUBPTQJN-UHFFFAOYSA-P
MW357.28 g/mol
LogP1.23
Rot. Bonds6

About [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 7394284) has the molecular formula C17H22Cl2N2O2+2 and a molecular weight of 357.28 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID7394284
Molecular FormulaC17H22Cl2N2O2+2
Molecular Weight357.28 g/mol
Exact Mass356.10
IUPAC Name[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESClc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c18-13-1-3-15(16(19)11-13)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2
InChIKeyNWDNYYJUBPTQJN-UHFFFAOYSA-P
XLogP1.23
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8637736
[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8622846
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8622324
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
CID 8622342
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 7394284) is [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is Clc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c(Cl)c1.
What is the InChIKey of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is NWDNYYJUBPTQJN-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-13-1-3-15(16(19)11-13)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2.
What are the key properties of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 357.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 7394284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).